ethyl N-[amino(methoxy)methylidene]carbamate

C5H10N2O3 — CID 54158122

IUPACethyl N-[amino(methoxy)methylidene]carbamate
SMILESCCOC(=O)N=C(N)OC
InChIInChI=1S/C5H10N2O3/c1-3-10-5(8)7-4(6)9-2/h3H2,1-2H3,(H2,6,7,8)
InChIKeyOMMSECGBRSFDEZ-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.10
Rot. Bonds1

About ethyl N-[amino(methoxy)methylidene]carbamate

ethyl N-[amino(methoxy)methylidene]carbamate (PubChem CID 54158122) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is ethyl N-[amino(methoxy)methylidene]carbamate.

Molecular Properties

Compound Nameethyl N-[amino(methoxy)methylidene]carbamate
PubChem CID54158122
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Nameethyl N-[amino(methoxy)methylidene]carbamate
SMILESCCOC(=O)N=C(N)OC
InChIInChI=1S/C5H10N2O3/c1-3-10-5(8)7-4(6)9-2/h3H2,1-2H3,(H2,6,7,8)
InChIKeyOMMSECGBRSFDEZ-UHFFFAOYSA-N
XLogP0.10
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[amino(methoxy)methylidene]carbamate?
The IUPAC name of ethyl N-[amino(methoxy)methylidene]carbamate (CID 54158122) is ethyl N-[amino(methoxy)methylidene]carbamate.
What is the SMILES notation for ethyl N-[amino(methoxy)methylidene]carbamate?
The canonical SMILES for ethyl N-[amino(methoxy)methylidene]carbamate is CCOC(=O)N=C(N)OC.
What is the InChIKey of ethyl N-[amino(methoxy)methylidene]carbamate?
The InChIKey is OMMSECGBRSFDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3-10-5(8)7-4(6)9-2/h3H2,1-2H3,(H2,6,7,8).
What are the key properties of ethyl N-[amino(methoxy)methylidene]carbamate?
ethyl N-[amino(methoxy)methylidene]carbamate has a molecular weight of 146.15 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[amino(methoxy)methylidene]carbamate is sourced from PubChem (CID 54158122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).